N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide

C12H13N3O — CID 70914494

IUPACN-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide
SMILESCC1=CC=CCC1NC(=O)c1cnccn1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)15-12(16)11-8-13-6-7-14-11/h2-4,6-8,10H,5H2,1H3,(H,15,16)
InChIKeyBMKWEFUHUNQKBX-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.48
Rot. Bonds2

About N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide

N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide (PubChem CID 70914494) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide
PubChem CID70914494
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide
SMILESCC1=CC=CCC1NC(=O)c1cnccn1
InChIInChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)15-12(16)11-8-13-6-7-14-11/h2-4,6-8,10H,5H2,1H3,(H,15,16)
InChIKeyBMKWEFUHUNQKBX-UHFFFAOYSA-N
XLogP1.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide (CID 70914494) is N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide is CC1=CC=CCC1NC(=O)c1cnccn1.
What is the InChIKey of N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide?
The InChIKey is BMKWEFUHUNQKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-4-2-3-5-10(9)15-12(16)11-8-13-6-7-14-11/h2-4,6-8,10H,5H2,1H3,(H,15,16).
What are the key properties of N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide?
N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexa-2,4-dien-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 70914494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).